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The traditional picture of solid-solid phase transformations assumes an ordered parent phase transforms into an ordered daughter phase via a single unique pathway. Zirconium and its prototypical phase transition from hexagonal close-packed…

The study of the chemical evolution of gas and dust from pre-stellar dense cores to circumstellar disks around young stars forms an essential part of understanding star- and planet formation. Throughout the collapse- and protostellar…

Astrophysics · Physics 2007-05-23 Ewine F. van Dishoeck , Michiel R. Hogerheijde

We have grown and characterized 30 nm thick YBa$_2$Cu$_3$O$_{7-\delta}$ (YBCO) films, deposited by pulsed laser deposition on both MgO (110) and SrTiO$_3$ (001) substrates, which induce opposite strain to the superconducting layer. By…

Superconductivity · Physics 2018-03-05 Riccardo Arpaia , Eric Andersson , Edoardo Trabaldo , Thilo Bauch , Floriana Lombardi

Disentangling the mechanistic details of a chemical reaction pathway is a hard problem that often requires a considerable amount of chemical intuition and a component of luck. Experiments struggle in observing short-life metastable…

Chemical Physics · Physics 2019-08-01 Valerio Rizzi , Dan Mendels , Emilia Sicilia , Michele Parrinello

This study aims to shed light on processing pathways towards functional silicate ceramics, which show some promise in various emerging applications, including dielectrics and bioactive implant materials. Polycrystalline silicate ceramics of…

Materials Science · Physics 2022-05-25 Franz Kamutzki , Sven Schneider , Maged Bekeet , A Gurlo , Dorian A. H. Hanaor

The ability to predict the composition- and temperature-dependent stability of refractory complex concentrated alloys (RCCAs) is vital to the design of high-temperature structural alloys. Here, we present a model based on first-principles…

Materials Science · Physics 2022-10-27 Zhaohan Zhang , Mu Li , John Cavin , Katharine Flores , Rohan Mishra

Silicon carbide (SiC) emerges as a promising ceramic material for high-temperature structural applications, especially within the aerospace sector. The utilization of SiC-based ceramic matrix composites (CMCs) instead of superalloys in…

The question on the dominant driving mechanism (displacive or order-disorder) at each structural phase transition of KNbO3 is investigated by means of molecular dynamics simulations. To this purpose, we first develop a shell model by…

Materials Science · Physics 2007-05-23 M. Sepliarsky , M. G. Stachiotti , R. L. Migoni , C. O. Rodriguez

In classical superconductors Cooper-pair formation and phase coherence occur simultaneously as the temperature is lowered below Tc. In high-temperature superconductors (HTSC), on the other hand, the small superfluid density and low…

Superconductivity · Physics 2009-11-10 C. Meingast , V. Pasler , P. Nagel , A. Rykov , S. Tajima , P. Olsson

Controlled synthesis of metastable materials away from equilibrium is of interest in materials chemistry. Thin film deposition methods with rapid condensation of vapor precursors can readily synthesize metastable phases, but often struggle…

We propose a thermodynamically consistent general-purpose model describing diffusion of a solute or a fluid in a solid undergoing possible phase transformations and damage, beside possible visco-inelastic processes. Also heat…

Mathematical Physics · Physics 2015-10-28 Tomas Roubicek , Giuseppe Tomassetti

Understanding electrochemical phenomena at complex liquid solid interfaces requires linking real time structural dynamics with atomic scale interfacial chemistry. Here, we integrate operando synchrotron X-ray fluorescence and diffraction…

An elastic-visco-plastic thermomechanical model for the simulation of cold forming and subsequent sintering of ceramic powders is introduced and based on micromechanical modelling of the compaction process of granulates. Micromechanics…

Computational Engineering, Finance, and Science · Computer Science 2019-07-19 D. Kempen , A. Piccolroaz , D. Bigoni

Here we introduce a versatile stereolithographic route to produce three different kinds of Si-containing thermosets that yield high performance ceramics upon thermal treatment. Our approach is based on a fast and inexpensive thiol-ene free…

Applied Physics · Physics 2019-05-13 Xifan Wang , Franziska Schmidt , Dorian Hanaor , Paul H. Kamm , Shuang Li , Aleksander Gurlo

Polycrystalline sample of the new layered superconductor Bi4O4S3 is successfully synthesized by solid-state reaction method by using Bi, S and Bi2O3 powders with one step reaction. The superconducting transition temperature (Tconset=4.5 K),…

Superconductivity · Physics 2012-10-09 S. G. Tan , L. J. Li , Y. Liu , P. Tong , B. C. Zhao , W. J. Lu , Y. P. Sun

Formic acid (HCOOH) and carbon dioxide (CO2) are simple species that have been detected in the interstellar medium. The solid-state formation pathways of these species under experimental conditions relevant to prestellar cores are primarily…

Solar and Stellar Astrophysics · Physics 2019-06-26 D. Qasim , T. Lamberts , J. He , K. -J. Chuang , G. Fedoseev , S. Ioppolo , A. C. A. Boogert , H. Linnartz

The oxygen deficiency $\delta$ in YBa$_2$Cu$_3$O$_{7-\delta}$ (YBCO) plays a crucial role for affecting high-temperature superconductivity. We applied (coincident) Doppler broadening spectroscopy of the electron-positron annihilation line…

Superconductivity · Physics 2018-04-11 M. Reiner , T. Gigl , R. Jany , G. Hammerl , C. Hugenschmidt

In view of the strong anisotropy of oxygen diffusion in high-Tc ceramic YBa2Cu3Ox, it is supposed that a polycrystalline sample of this material can be presented as consisting of crystal grains where each grain was formed by a certain…

Materials Science · Physics 2007-05-23 Andrei Ivanov

In complex transition metal oxides (TMO) an arrested electronic phase separation (PS) appears by tuning the system near a Lifshitz transition in multiband Hubbard models. The PS in La2CuO4+y near insulator to metal transition (IMT) is made…

Superconductivity · Physics 2017-01-04 D. Di Gioacchino , A. Puri , A. Marcelli , N. Poccia , A. Ricci , A. Bianconi

Despite the fundamental importance of solid--solid transitions for metallurgy, ceramics, earth science, reconfigurable materials, and colloidal matter, the details of how materials transform between two solid structures are poorly…

Soft Condensed Matter · Physics 2017-09-08 Chrisy Xiyu Du , Greg van Anders , Richmond S. Newman , Sharon C. Glotzer
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